CID 59954366

C14H16NOSn — CID 59954366

IUPAC—
SMILESCN1CCC2(C=C([Sn])CO2)C1c1ccccc1
InChIInChI=1S/C14H16NO.Sn/c1-15-10-9-14(8-5-11-16-14)13(15)12-6-3-2-4-7-12;/h2-4,6-8,13H,9-11H2,1H3;
InChIKeyUCXIESIOIUJOEW-UHFFFAOYSA-N
MW333.00 g/mol
LogP1.88
Rot. Bonds1

About CID 59954366

CID 59954366 (PubChem CID 59954366) has the molecular formula C14H16NOSn and a molecular weight of 333.00 g/mol.

Molecular Properties

Compound NameCID 59954366
PubChem CID59954366
Molecular FormulaC14H16NOSn
Molecular Weight333.00 g/mol
Exact Mass334.03
IUPAC Name—
SMILESCN1CCC2(C=C([Sn])CO2)C1c1ccccc1
InChIInChI=1S/C14H16NO.Sn/c1-15-10-9-14(8-5-11-16-14)13(15)12-6-3-2-4-7-12;/h2-4,6-8,13H,9-11H2,1H3;
InChIKeyUCXIESIOIUJOEW-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.00
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59954366?
The IUPAC name of CID 59954366 (CID 59954366) is not available.
What is the SMILES notation for CID 59954366?
The canonical SMILES for CID 59954366 is CN1CCC2(C=C([Sn])CO2)C1c1ccccc1.
What is the InChIKey of CID 59954366?
The InChIKey is UCXIESIOIUJOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO.Sn/c1-15-10-9-14(8-5-11-16-14)13(15)12-6-3-2-4-7-12;/h2-4,6-8,13H,9-11H2,1H3;.
What are the key properties of CID 59954366?
CID 59954366 has a molecular weight of 333.00 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59954366 is sourced from PubChem (CID 59954366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).